JRA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBC | CAC | doub | 1.31Å | 1.32Å | |
| CAC | C3C | sing | 1.51Å | 1.54Å | |
| C3C | C2C | sing | 1.54Å | 1.49Å | |
| C3C | C4C | sing | 1.51Å | 1.50Å | |
| C2C | CMC | sing | 1.53Å | 1.52Å | |
| C2C | C1C | sing | 1.51Å | 1.50Å | |
| CMD | C2D | sing | 1.51Å | 1.53Å | |
| C4C | CHD | doub | 1.34Å | 1.33Å | |
| C4C | NC | sing | 1.38Å | 1.31Å | |
| CHD | C1D | sing | 1.47Å | 1.46Å | |
| O2D | CGD | doub | 1.21Å | 1.25Å | |
| C1C | NC | sing | 1.34Å | 1.33Å | |
| C1C | OC | doub | 1.21Å | 1.22Å | |
| O1D | CGD | sing | 1.34Å | 1.26Å | |
| C2D | C1D | sing | 1.42Å | 1.47Å | |
| C2D | C3D | doub | 1.36Å | 1.46Å | |
| CGD | CBD | sing | 1.51Å | 1.49Å | |
| C1D | ND | doub | 1.33Å | 1.38Å | |
| C3D | CAD | sing | 1.51Å | 1.51Å | |
| C3D | C4D | sing | 1.42Å | 1.49Å | |
| CAD | CBD | sing | 1.53Å | 1.53Å | |
| ND | C4D | sing | 1.35Å | 1.37Å | |
| C4D | CHA | doub | 1.40Å | 1.49Å | |
| CHA | C1A | sing | 1.40Å | 1.47Å | |
| C1A | NA | sing | 1.38Å | 1.32Å | Aromatic |
| C1A | C2A | doub | 1.40Å | 1.45Å | Aromatic |
| NA | C4A | sing | 1.37Å | 1.35Å | Aromatic |
| O1A | CGA | doub | 1.21Å | 1.25Å | |
| C2A | CAA | sing | 1.51Å | 1.51Å | |
| C2A | C3A | sing | 1.38Å | 1.40Å | Aromatic |
| C4A | CHB | sing | 1.41Å | 1.49Å | |
| C4A | C3A | doub | 1.39Å | 1.46Å | Aromatic |
| CAA | CBA | sing | 1.53Å | 1.52Å | |
| CHB | C1B | doub | 1.38Å | 1.49Å | |
| CBA | CGA | sing | 1.51Å | 1.51Å | |
| C3A | CMA | sing | 1.51Å | 1.50Å | |
| CGA | O2A | sing | 1.34Å | 1.24Å | |
| C1B | NB | sing | 1.39Å | 1.32Å | |
| C1B | C2B | sing | 1.41Å | 1.49Å | |
| NB | C4B | sing | 1.35Å | 1.36Å | |
| CMB | C2B | sing | 1.51Å | 1.51Å | |
| C2B | C3B | doub | 1.38Å | 1.45Å | |
| C4B | C3B | sing | 1.47Å | 1.47Å | |
| C4B | OB | doub | 1.22Å | 1.28Å | |
| C3B | CAB | sing | 1.47Å | 1.48Å | |
| CAB | CBB | doub | 1.33Å | 1.28Å | |
| CHA | H1 | sing | 1.08Å | 1.08Å | |
| NA | H3 | sing | 0.97Å | 1.00Å | |
| CMA | H4 | sing | 1.09Å | 1.10Å | |
| CMA | H5 | sing | 1.09Å | 1.10Å | |
| CMA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CBA | H9 | sing | 1.09Å | 1.10Å | |
| CBA | H10 | sing | 1.09Å | 1.10Å | |
| O2A | H11 | sing | 0.97Å | 0.95Å | |
| CHB | H12 | sing | 1.08Å | 1.08Å | |
| CMB | H14 | sing | 1.09Å | 1.10Å | |
| CMB | H15 | sing | 1.09Å | 1.10Å | |
| CMB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.08Å | 1.08Å | |
| CBB | H18 | sing | 1.08Å | 1.08Å | |
| CBB | H19 | sing | 1.08Å | 1.08Å | |
| NC | H20 | sing | 0.97Å | 1.00Å | |
| C2C | H21 | sing | 1.09Å | 1.10Å | |
| C3C | H22 | sing | 1.09Å | 1.10Å | |
| CMC | H24 | sing | 1.09Å | 1.10Å | |
| CMC | H25 | sing | 1.09Å | 1.10Å | |
| CMC | H26 | sing | 1.09Å | 1.10Å | |
| CAC | H27 | sing | 1.08Å | 1.08Å | |
| CBC | H28 | sing | 1.08Å | 1.08Å | |
| CBC | H29 | sing | 1.08Å | 1.08Å | |
| CHD | H30 | sing | 1.08Å | 1.08Å | |
| CMD | H33 | sing | 1.09Å | 1.10Å | |
| CMD | H34 | sing | 1.09Å | 1.10Å | |
| CMD | H35 | sing | 1.09Å | 1.10Å | |
| CAD | H36 | sing | 1.09Å | 1.10Å | |
| CAD | H37 | sing | 1.09Å | 1.10Å | |
| CBD | H38 | sing | 1.09Å | 1.10Å | |
| CBD | H39 | sing | 1.09Å | 1.10Å | |
| O1D | H40 | sing | 0.97Å | 0.95Å | |
| NB | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | CAC | C3C | 127.3° | 120.0° |
| CBC | CAC | H27 | 116.3° | 120.0° |
| CAC | CBC | H28 | 120.0° | 120.0° |
| CAC | CBC | H29 | 120.0° | 120.0° |
| CAC | C3C | C2C | 127.4° | 110.6° |
| CAC | C3C | C4C | 117.3° | 110.8° |
| CAC | C3C | H22 | 100.0° | 110.5° |
| C3C | CAC | H27 | 116.3° | 120.0° |
| C2C | C3C | C4C | 106.1° | 103.9° |
| C3C | C2C | CMC | 113.4° | 110.5° |
| C3C | C2C | C1C | 98.2° | 104.2° |
| C3C | C2C | H21 | 112.2° | 110.6° |
| C2C | C3C | H22 | 100.2° | 110.6° |
| C3C | C4C | CHD | 121.8° | 125.7° |
| C3C | C4C | NC | 106.2° | 108.7° |
| C4C | C3C | H22 | 100.2° | 110.4° |
| CMC | C2C | C1C | 108.3° | 110.4° |
| CMC | C2C | H21 | 111.8° | 110.5° |
| C2C | CMC | H24 | 109.5° | 109.5° |
| C2C | CMC | H25 | 109.5° | 109.4° |
| C2C | CMC | H26 | 109.5° | 109.5° |
| C2C | C1C | NC | 110.5° | 109.6° |
| C2C | C1C | OC | 118.8° | 125.2° |
| C1C | C2C | H21 | 112.1° | 110.5° |
| CMD | C2D | C1D | 131.2° | 126.4° |
| CMD | C2D | C3D | 126.6° | 126.5° |
| C2D | CMD | H33 | 109.5° | 109.5° |
| C2D | CMD | H34 | 109.5° | 109.4° |
| C2D | CMD | H35 | 109.5° | 109.5° |
| CHD | C4C | NC | 131.9° | 125.6° |
| C4C | CHD | C1D | 127.6° | 120.0° |
| C4C | CHD | H30 | 116.2° | 120.0° |
| C4C | NC | C1C | 112.9° | 113.7° |
| C4C | NC | H20 | 123.5° | 123.2° |
| CHD | C1D | C2D | 119.0° | 125.7° |
| CHD | C1D | ND | 124.5° | 125.7° |
| C1D | CHD | H30 | 116.2° | 120.0° |
| O2D | CGD | O1D | 124.4° | 120.0° |
| O2D | CGD | CBD | 118.6° | 120.0° |
| NC | C1C | OC | 129.2° | 125.2° |
| C1C | NC | H20 | 123.6° | 123.2° |
| O1D | CGD | CBD | 117.0° | 120.0° |
| CGD | O1D | H40 | 109.5° | 117.0° |
| C1D | C2D | C3D | 102.2° | 107.0° |
| C2D | C1D | ND | 116.5° | 108.7° |
| C2D | C3D | CAD | 128.7° | 126.6° |
| C2D | C3D | C4D | 104.7° | 106.7° |
| CGD | CBD | CAD | 112.9° | 109.4° |
| CGD | CBD | H38 | 108.6° | 109.4° |
| CGD | CBD | H39 | 108.6° | 109.4° |
| C1D | ND | C4D | 102.3° | 109.4° |
| CAD | C3D | C4D | 126.6° | 126.6° |
| C3D | CAD | CBD | 109.0° | 109.4° |
| C3D | CAD | H36 | 109.6° | 109.4° |
| C3D | CAD | H37 | 109.6° | 109.4° |
| C3D | C4D | ND | 114.3° | 108.1° |
| C3D | C4D | CHA | 117.3° | 126.0° |
| CBD | CAD | H36 | 109.6° | 109.5° |
| CBD | CAD | H37 | 109.6° | 109.5° |
| CAD | CBD | H38 | 108.6° | 109.5° |
| CAD | CBD | H39 | 108.6° | 109.5° |
| ND | C4D | CHA | 128.3° | 125.9° |
| C4D | CHA | C1A | 129.6° | 120.0° |
| C4D | CHA | H1 | 115.2° | 119.9° |
| CHA | C1A | NA | 124.2° | 126.0° |
| CHA | C1A | C2A | 121.6° | 126.0° |
| C1A | CHA | H1 | 115.2° | 120.0° |
| NA | C1A | C2A | 114.1° | 108.0° |
| C1A | NA | C4A | 104.6° | 108.4° |
| C1A | NA | H3 | 127.7° | 125.8° |
| C1A | C2A | CAA | 128.9° | 126.2° |
| C1A | C2A | C3A | 104.2° | 107.6° |
| NA | C4A | CHB | 120.2° | 125.9° |
| NA | C4A | C3A | 112.7° | 108.2° |
| C4A | NA | H3 | 127.7° | 125.8° |
| O1A | CGA | CBA | 116.4° | 120.1° |
| O1A | CGA | O2A | 125.6° | 120.0° |
| CAA | C2A | C3A | 126.9° | 126.2° |
| C2A | CAA | CBA | 107.0° | 109.5° |
| C2A | CAA | H7 | 110.1° | 109.5° |
| C2A | CAA | H8 | 110.1° | 109.4° |
| C2A | C3A | C4A | 104.2° | 107.7° |
| C2A | C3A | CMA | 127.2° | 126.1° |
| CHB | C4A | C3A | 126.5° | 125.9° |
| C4A | CHB | C1B | 135.1° | 120.0° |
| C4A | CHB | H12 | 112.5° | 120.1° |
| C4A | C3A | CMA | 128.5° | 126.2° |
| CAA | CBA | CGA | 105.0° | 109.4° |
| CBA | CAA | H7 | 110.1° | 109.5° |
| CBA | CAA | H8 | 110.1° | 109.5° |
| CAA | CBA | H9 | 110.5° | 109.5° |
| CAA | CBA | H10 | 110.6° | 109.4° |
| CHB | C1B | NB | 124.9° | 125.5° |
| CHB | C1B | C2B | 123.4° | 125.5° |
| C1B | CHB | H12 | 112.4° | 119.9° |
| CBA | CGA | O2A | 118.0° | 120.0° |
| CGA | CBA | H9 | 110.6° | 109.5° |
| CGA | CBA | H10 | 110.6° | 109.5° |
| C3A | CMA | H4 | 109.5° | 109.5° |
| C3A | CMA | H5 | 109.5° | 109.4° |
| C3A | CMA | H6 | 109.5° | 109.4° |
| CGA | O2A | H11 | 109.5° | 117.0° |
| NB | C1B | C2B | 111.7° | 109.0° |
| C1B | NB | C4B | 107.8° | 109.1° |
| C1B | NB | H2 | 126.1° | 125.4° |
| C1B | C2B | CMB | 128.1° | 126.3° |
| C1B | C2B | C3B | 104.6° | 107.5° |
| NB | C4B | C3B | 112.2° | 107.7° |
| NB | C4B | OB | 120.8° | 126.1° |
| C4B | NB | H2 | 126.1° | 125.5° |
| CMB | C2B | C3B | 127.3° | 126.2° |
| C2B | CMB | H14 | 109.5° | 109.5° |
| C2B | CMB | H15 | 109.4° | 109.5° |
| C2B | CMB | H16 | 109.4° | 109.4° |
| C2B | C3B | C4B | 103.6° | 106.7° |
| C2B | C3B | CAB | 122.9° | 126.6° |
| C3B | C4B | OB | 126.8° | 126.2° |
| C4B | C3B | CAB | 133.4° | 126.7° |
| C3B | CAB | CBB | 123.8° | 120.0° |
| C3B | CAB | H17 | 118.1° | 120.0° |
| CBB | CAB | H17 | 118.1° | 120.0° |
| CAB | CBB | H18 | 120.0° | 120.0° |
| CAB | CBB | H19 | 120.0° | 120.0° |
| H4 | CMA | H5 | 109.5° | 109.5° |
| H4 | CMA | H6 | 109.4° | 109.5° |
| H5 | CMA | H6 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H9 | CBA | H10 | 109.5° | 109.5° |
| H14 | CMB | H15 | 109.5° | 109.5° |
| H14 | CMB | H16 | 109.5° | 109.5° |
| H15 | CMB | H16 | 109.5° | 109.5° |
| H18 | CBB | H19 | 120.0° | 120.0° |
| H24 | CMC | H25 | 109.5° | 109.5° |
| H24 | CMC | H26 | 109.5° | 109.5° |
| H25 | CMC | H26 | 109.4° | 109.5° |
| H28 | CBC | H29 | 120.0° | 120.0° |
| H33 | CMD | H34 | 109.4° | 109.5° |
| H33 | CMD | H35 | 109.5° | 109.5° |
| H34 | CMD | H35 | 109.5° | 109.5° |
| H36 | CAD | H37 | 109.5° | 109.5° |
| H38 | CBD | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBC | CAC | C3C | H27 | 180.0° | 180.0° |
| CBC | CAC | C3C | C2C | 59.1° | 120.0° |
| CBC | CAC | C3C | C4C | 82.7° | 125.4° |
| CBC | CAC | C3C | H22 | 170.2° | 2.8° |
| CAC | CBC | H28 | H29 | 180.0° | 180.0° |
| CAC | C3C | C2C | C4C | 145.1° | 118.8° |
| CAC | C3C | C2C | H22 | 111.0° | 122.7° |
| CAC | C3C | C4C | H22 | 106.9° | 122.8° |
| CAC | C3C | C2C | CMC | 54.7° | 0.0° |
| CAC | C3C | C2C | C1C | 168.7° | 118.6° |
| CAC | C3C | C4C | CHD | 14.6° | 61.3° |
| CAC | C3C | C4C | NC | 169.3° | 118.3° |
| CAC | C3C | C2C | H21 | 73.3° | 122.7° |
| C3C | CAC | CBC | H28 | 180.0° | 0.0° |
| C3C | CAC | CBC | H29 | 0.0° | 180.0° |
| C2C | C3C | C4C | H22 | 103.9° | 118.5° |
| C3C | C2C | CMC | C1C | 107.8° | 114.7° |
| C3C | C2C | CMC | H21 | 128.1° | 122.8° |
| C3C | C2C | C1C | H21 | 118.1° | 118.8° |
| C2C | C3C | C4C | CHD | 163.8° | 180.0° |
| C2C | C3C | C4C | NC | 20.1° | 0.4° |
| C3C | C2C | C1C | NC | 21.3° | 0.0° |
| C3C | C2C | C1C | OC | 171.6° | 180.0° |
| C3C | C2C | CMC | H24 | 180.0° | 178.4° |
| C3C | C2C | CMC | H25 | 60.0° | 61.6° |
| C3C | C2C | CMC | H26 | 60.0° | 58.4° |
| C2C | C3C | CAC | H27 | 120.9° | 60.0° |
| C4C | C3C | C2C | CMC | 90.4° | 118.9° |
| C4C | C3C | C2C | C1C | 23.6° | 0.2° |
| C3C | C4C | CHD | NC | 175.0° | 179.6° |
| C3C | C4C | CHD | C1D | 152.4° | 175.4° |
| C3C | C4C | NC | C1C | 6.2° | 0.4° |
| C3C | C4C | NC | H20 | 173.8° | 179.8° |
| C4C | C3C | C2C | H21 | 141.7° | 118.5° |
| C4C | C3C | CAC | H27 | 97.3° | 54.5° |
| C3C | C4C | CHD | H30 | 27.6° | 4.7° |
| CMC | C2C | C1C | H21 | 123.8° | 122.5° |
| CMC | C2C | C1C | NC | 96.8° | 118.7° |
| CMC | C2C | C1C | OC | 70.3° | 61.3° |
| CMC | C2C | C3C | H22 | 165.7° | 122.7° |
| C2C | CMC | H24 | H25 | 120.0° | 120.0° |
| C2C | CMC | H24 | H26 | 120.0° | 120.0° |
| C2C | CMC | H25 | H26 | 119.9° | 120.0° |
| C2C | C1C | NC | C4C | 10.3° | 0.2° |
| C2C | C1C | NC | OC | 165.4° | 180.0° |
| C2C | C1C | NC | H20 | 169.7° | 180.0° |
| C1C | C2C | C3C | H22 | 80.2° | 118.7° |
| C1C | C2C | CMC | H24 | 72.2° | 63.7° |
| C1C | C2C | CMC | H25 | 167.8° | 176.3° |
| C1C | C2C | CMC | H26 | 47.9° | 56.3° |
| CMD | C2D | C1D | CHD | 2.6° | 0.0° |
| CMD | C2D | C1D | C3D | 178.2° | 180.0° |
| CMD | C2D | C1D | ND | 178.7° | 180.0° |
| CMD | C2D | C3D | CAD | 1.6° | 0.0° |
| CMD | C2D | C3D | C4D | 178.3° | 179.9° |
| C2D | CMD | H33 | H34 | 120.0° | 120.0° |
| C2D | CMD | H33 | H35 | 120.0° | 120.0° |
| C2D | CMD | H34 | H35 | 120.0° | 120.0° |
| C4C | CHD | C1D | H30 | 180.0° | 179.9° |
| CHD | C4C | NC | C1C | 178.2° | 179.9° |
| C4C | CHD | C1D | C2D | 163.0° | 174.3° |
| C4C | CHD | C1D | ND | 18.4° | 5.6° |
| CHD | C4C | NC | H20 | 1.8° | 0.2° |
| CHD | C4C | C3C | H22 | 92.4° | 61.4° |
| NC | C4C | CHD | C1D | 22.6° | 4.2° |
| C4C | NC | C1C | H20 | 180.0° | 179.8° |
| C4C | NC | C1C | OC | 175.7° | 179.8° |
| NC | C4C | C3C | H22 | 83.8° | 118.9° |
| NC | C4C | CHD | H30 | 157.4° | 175.7° |
| CHD | C1D | C2D | ND | 178.7° | 179.9° |
| CHD | C1D | C2D | C3D | 179.2° | 180.0° |
| CHD | C1D | ND | C4D | 179.5° | 179.9° |
| O2D | CGD | O1D | CBD | 178.5° | 180.0° |
| O2D | CGD | CBD | CAD | 42.3° | 0.1° |
| O2D | CGD | CBD | H38 | 78.2° | 120.0° |
| O2D | CGD | CBD | H39 | 162.8° | 120.0° |
| O2D | CGD | O1D | H40 | 0.0° | 0.0° |
| NC | C1C | C2C | H21 | 139.4° | 118.8° |
| OC | C1C | NC | H20 | 4.3° | 0.0° |
| OC | C1C | C2C | H21 | 53.5° | 61.2° |
| O1D | CGD | CBD | CAD | 139.1° | 180.0° |
| O1D | CGD | CBD | H38 | 100.4° | 60.0° |
| O1D | CGD | CBD | H39 | 18.6° | 60.0° |
| C1D | C2D | C3D | CAD | 179.9° | 180.0° |
| C1D | C2D | C3D | C4D | 0.1° | 0.1° |
| C2D | C1D | ND | C4D | 0.8° | 0.0° |
| C2D | C1D | CHD | H30 | 17.1° | 5.8° |
| C1D | C2D | CMD | H33 | 180.0° | 0.0° |
| C1D | C2D | CMD | H34 | 60.0° | 120.0° |
| C1D | C2D | CMD | H35 | 60.0° | 120.0° |
| C3D | C2D | C1D | ND | 0.5° | 0.0° |
| C2D | C3D | CAD | C4D | 179.9° | 179.9° |
| C2D | C3D | CAD | CBD | 111.6° | 95.0° |
| C2D | C3D | C4D | ND | 0.6° | 0.1° |
| C2D | C3D | C4D | CHA | 177.3° | 180.0° |
| C3D | C2D | CMD | H33 | 2.2° | 180.0° |
| C3D | C2D | CMD | H34 | 122.1° | 60.0° |
| C3D | C2D | CMD | H35 | 117.9° | 60.0° |
| C2D | C3D | CAD | H36 | 128.4° | 145.0° |
| C2D | C3D | CAD | H37 | 8.3° | 25.0° |
| CGD | CBD | CAD | C3D | 101.4° | 180.0° |
| CGD | CBD | CAD | H38 | 120.5° | 120.0° |
| CGD | CBD | CAD | H39 | 120.5° | 119.9° |
| CGD | CBD | CAD | H36 | 138.7° | 60.0° |
| CGD | CBD | CAD | H37 | 18.5° | 60.1° |
| CGD | CBD | H38 | H39 | 118.4° | 120.0° |
| CBD | CGD | O1D | H40 | 178.5° | 180.0° |
| C1D | ND | C4D | C3D | 0.8° | 0.0° |
| C1D | ND | C4D | CHA | 177.1° | 180.0° |
| ND | C1D | CHD | H30 | 161.6° | 174.3° |
| C3D | CAD | CBD | H36 | 119.9° | 120.0° |
| C3D | CAD | CBD | H37 | 119.9° | 119.9° |
| CAD | C3D | C4D | ND | 179.5° | 180.0° |
| CAD | C3D | C4D | CHA | 2.8° | 0.1° |
| C3D | CAD | H36 | H37 | 120.2° | 120.0° |
| C3D | CAD | CBD | H38 | 138.1° | 60.0° |
| C3D | CAD | CBD | H39 | 19.1° | 60.1° |
| C4D | C3D | CAD | CBD | 68.2° | 85.1° |
| C3D | C4D | ND | CHA | 176.3° | 180.0° |
| C3D | C4D | CHA | C1A | 173.5° | 172.4° |
| C3D | C4D | CHA | H1 | 6.5° | 7.3° |
| C4D | C3D | CAD | H36 | 51.7° | 35.0° |
| C4D | C3D | CAD | H37 | 171.9° | 155.0° |
| CBD | CAD | H36 | H37 | 120.3° | 120.0° |
| CAD | CBD | H38 | H39 | 118.4° | 120.0° |
| ND | C4D | CHA | C1A | 10.3° | 7.6° |
| ND | C4D | CHA | H1 | 169.7° | 172.8° |
| C4D | CHA | C1A | H1 | 180.0° | 179.6° |
| C4D | CHA | C1A | NA | 14.4° | 16.8° |
| C4D | CHA | C1A | C2A | 163.9° | 163.1° |
| CHA | C1A | NA | C2A | 178.4° | 179.9° |
| CHA | C1A | NA | C4A | 179.5° | 179.9° |
| CHA | C1A | C2A | CAA | 0.9° | 0.1° |
| CHA | C1A | C2A | C3A | 178.9° | 179.9° |
| CHA | C1A | NA | H3 | 0.6° | 0.3° |
| C1A | NA | C4A | H3 | 180.0° | 179.8° |
| NA | C1A | C2A | CAA | 179.3° | 180.0° |
| NA | C1A | C2A | C3A | 0.5° | 0.0° |
| C1A | NA | C4A | CHB | 174.8° | 179.7° |
| C1A | NA | C4A | C3A | 3.0° | 0.0° |
| NA | C1A | CHA | H1 | 165.6° | 162.8° |
| C2A | C1A | NA | C4A | 2.1° | 0.0° |
| C1A | C2A | CAA | C3A | 179.8° | 180.0° |
| C1A | C2A | C3A | C4A | 1.3° | 0.0° |
| C1A | C2A | CAA | CBA | 67.7° | 90.0° |
| C1A | C2A | C3A | CMA | 178.0° | 180.0° |
| C2A | C1A | CHA | H1 | 16.1° | 17.3° |
| C2A | C1A | NA | H3 | 177.9° | 179.8° |
| C1A | C2A | CAA | H7 | 51.9° | 150.0° |
| C1A | C2A | CAA | H8 | 172.7° | 30.0° |
| NA | C4A | C3A | C2A | 2.7° | 0.0° |
| NA | C4A | CHB | C3A | 170.6° | 179.7° |
| NA | C4A | CHB | C1B | 139.7° | 13.5° |
| NA | C4A | C3A | CMA | 179.4° | 180.0° |
| NA | C4A | CHB | H12 | 40.3° | 166.4° |
| O1A | CGA | CBA | CAA | 97.0° | 0.1° |
| O1A | CGA | CBA | O2A | 179.5° | 179.9° |
| O1A | CGA | CBA | H9 | 143.7° | 120.0° |
| O1A | CGA | CBA | H10 | 22.3° | 120.0° |
| O1A | CGA | O2A | H11 | 0.0° | 0.1° |
| CAA | C2A | C3A | C4A | 178.9° | 180.0° |
| C2A | CAA | CBA | H7 | 119.6° | 120.0° |
| C2A | CAA | CBA | H8 | 119.6° | 119.9° |
| C2A | CAA | CBA | CGA | 177.8° | 180.0° |
| CAA | C2A | C3A | CMA | 2.2° | 0.0° |
| C2A | CAA | H7 | H8 | 121.2° | 119.9° |
| C2A | CAA | CBA | H9 | 62.9° | 59.9° |
| C2A | CAA | CBA | H10 | 58.5° | 60.0° |
| C2A | C3A | C4A | CHB | 173.9° | 179.7° |
| C2A | C3A | C4A | CMA | 176.7° | 180.0° |
| C3A | C2A | CAA | CBA | 112.5° | 90.0° |
| C2A | C3A | CMA | H4 | 92.0° | 90.0° |
| C2A | C3A | CMA | H5 | 148.0° | 150.0° |
| C2A | C3A | CMA | H6 | 28.0° | 30.1° |
| C3A | C2A | CAA | H7 | 127.9° | 30.0° |
| C3A | C2A | CAA | H8 | 7.1° | 150.0° |
| C4A | CHB | C1B | H12 | 180.0° | 180.0° |
| CHB | C4A | C3A | CMA | 9.4° | 0.3° |
| C4A | CHB | C1B | NB | 12.1° | 12.9° |
| C4A | CHB | C1B | C2B | 169.7° | 167.0° |
| CHB | C4A | NA | H3 | 5.2° | 0.1° |
| C3A | C4A | CHB | C1B | 31.0° | 166.1° |
| C3A | C4A | NA | H3 | 177.0° | 179.8° |
| C4A | C3A | CMA | H4 | 92.1° | 90.0° |
| C4A | C3A | CMA | H5 | 27.9° | 30.0° |
| C4A | C3A | CMA | H6 | 147.9° | 150.0° |
| C3A | C4A | CHB | H12 | 149.1° | 13.9° |
| CAA | CBA | CGA | H9 | 119.3° | 120.0° |
| CAA | CBA | CGA | H10 | 119.3° | 119.9° |
| CAA | CBA | CGA | O2A | 83.5° | 180.0° |
| CBA | CAA | H7 | H8 | 121.1° | 120.0° |
| CAA | CBA | H9 | H10 | 122.0° | 119.9° |
| CHB | C1B | NB | C2B | 178.3° | 180.0° |
| CHB | C1B | NB | C4B | 177.5° | 180.0° |
| CHB | C1B | C2B | CMB | 0.5° | 0.0° |
| CHB | C1B | C2B | C3B | 178.5° | 180.0° |
| CHB | C1B | NB | H2 | 2.5° | 0.3° |
| CGA | CBA | CAA | H7 | 58.1° | 60.0° |
| CGA | CBA | CAA | H8 | 62.6° | 60.1° |
| CGA | CBA | H9 | H10 | 122.1° | 120.1° |
| CBA | CGA | O2A | H11 | 179.5° | 180.0° |
| C3A | CMA | H4 | H5 | 120.0° | 119.9° |
| C3A | CMA | H4 | H6 | 120.0° | 120.0° |
| C3A | CMA | H5 | H6 | 120.0° | 119.9° |
| O2A | CGA | CBA | H9 | 35.8° | 60.0° |
| O2A | CGA | CBA | H10 | 157.2° | 60.1° |
| C1B | NB | C4B | H2 | 180.0° | 179.8° |
| NB | C1B | C2B | CMB | 178.9° | 180.0° |
| NB | C1B | C2B | C3B | 3.1° | 0.0° |
| C1B | NB | C4B | C3B | 3.6° | 0.0° |
| C1B | NB | C4B | OB | 178.7° | 179.7° |
| NB | C1B | CHB | H12 | 167.8° | 167.1° |
| C2B | C1B | NB | C4B | 4.1° | 0.0° |
| C1B | C2B | CMB | C3B | 177.5° | 180.0° |
| C1B | C2B | C3B | C4B | 0.8° | 0.0° |
| C1B | C2B | C3B | CAB | 177.2° | 180.0° |
| C2B | C1B | CHB | H12 | 10.3° | 12.9° |
| C1B | C2B | CMB | H14 | 180.0° | 90.0° |
| C1B | C2B | CMB | H15 | 60.0° | 150.0° |
| C1B | C2B | CMB | H16 | 60.0° | 30.0° |
| C2B | C1B | NB | H2 | 175.9° | 179.8° |
| NB | C4B | C3B | C2B | 1.6° | 0.0° |
| NB | C4B | C3B | OB | 174.8° | 179.7° |
| NB | C4B | C3B | CAB | 179.3° | 179.9° |
| CMB | C2B | C3B | C4B | 178.8° | 180.0° |
| CMB | C2B | C3B | CAB | 0.8° | 0.1° |
| C2B | CMB | H14 | H15 | 120.0° | 120.0° |
| C2B | CMB | H14 | H16 | 120.0° | 120.0° |
| C2B | CMB | H15 | H16 | 120.0° | 120.0° |
| C2B | C3B | C4B | CAB | 177.8° | 180.0° |
| C2B | C3B | C4B | OB | 176.3° | 179.7° |
| C2B | C3B | CAB | CBB | 170.9° | 173.8° |
| C3B | C2B | CMB | H14 | 2.5° | 90.1° |
| C3B | C2B | CMB | H15 | 122.5° | 29.9° |
| C3B | C2B | CMB | H16 | 117.5° | 150.0° |
| C2B | C3B | CAB | H17 | 9.1° | 6.1° |
| C4B | C3B | CAB | CBB | 6.5° | 6.2° |
| C4B | C3B | CAB | H17 | 173.5° | 173.8° |
| C3B | C4B | NB | H2 | 176.4° | 179.8° |
| OB | C4B | C3B | CAB | 5.9° | 0.2° |
| OB | C4B | NB | H2 | 1.3° | 0.0° |
| C3B | CAB | CBB | H17 | 180.0° | 180.0° |
| C3B | CAB | CBB | H18 | 180.0° | 5.8° |
| C3B | CAB | CBB | H19 | 0.0° | 174.1° |
| CAB | CBB | H18 | H19 | 180.0° | 179.9° |
| H4 | CMA | H5 | H6 | 120.0° | 120.1° |
| H7 | CAA | CBA | H9 | 177.4° | 180.0° |
| H7 | CAA | CBA | H10 | 61.2° | 60.0° |
| H8 | CAA | CBA | H9 | 56.7° | 60.0° |
| H8 | CAA | CBA | H10 | 178.1° | 180.0° |
| H14 | CMB | H15 | H16 | 120.0° | 120.0° |
| H17 | CAB | CBB | H18 | 0.0° | 174.1° |
| H17 | CAB | CBB | H19 | 180.0° | 5.9° |
| H21 | C2C | C3C | H22 | 37.8° | 0.1° |
| H21 | C2C | CMC | H24 | 51.9° | 58.8° |
| H21 | C2C | CMC | H25 | 68.1° | 61.2° |
| H21 | C2C | CMC | H26 | 171.9° | 178.9° |
| H22 | C3C | CAC | H27 | 9.8° | 177.2° |
| H24 | CMC | H25 | H26 | 120.0° | 120.0° |
| H27 | CAC | CBC | H28 | 0.0° | NaN° |
| H27 | CAC | CBC | H29 | 180.0° | 0.0° |
| H33 | CMD | H34 | H35 | 120.0° | 120.0° |
| H36 | CAD | CBD | H38 | 18.2° | NaN° |
| H36 | CAD | CBD | H39 | 100.8° | 59.9° |
| H37 | CAD | CBD | H38 | 102.0° | 59.9° |
| H37 | CAD | CBD | H39 | 139.0° | 180.0° |
